SCHEMBL2747730

SCHEMBL2747730

FC(F)(F)c1cccc2sc(Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
LMNA P02545 3/20 0.40
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AKR1B1 P15121 1/20 0.38
P2RX7 Q99572 1/20 0.38
MPL P40238 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB8 P28062 1/20 0.37
NOTUM Q6P988 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
F2RL3 Q96RI0 1/20 0.35
KDM4E B2RXH2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31026894 0.81 ALDH1A1 (0.44) ALDH1A1LMNAPDE10AL3MBTL1AKR1B1
SCHEMBL25426377 0.81 ALDH1A1 (0.44) ALDH1A1LMNAPDE10AL3MBTL1AKR1B1
SCHEMBL8977752 0.81 AKR1B1 (0.40) ALDH1A1LMNAL3MBTL1AKR1B1MPL
SCHEMBL24818889 0.80 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1AKR1B1P2RX7
SCHEMBL22891113 0.80 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1AKR1B1MPL
SCHEMBL9527657 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1MPLMEN1HPGD
SCHEMBL25367519 0.79 ALDH1A1 (0.39) ALDH1A1LMNAL3MBTL1AKR1B1MPL
SCHEMBL1913695 0.79 ALDH1A1 (0.61) ALDH1A1LMNAPDE10AL3MBTL1AKR1B1
SCHEMBL2748265 0.79 ALDH1A1 (0.39) ALDH1A1LMNAL3MBTL1AKR1B1MPL
SCHEMBL3790319 0.77 ALDH1A1 (0.58) ALDH1A1LMNAPDE10AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427575-B2 Antitumor compound for activating JWA gene and degrading HER2, preparation method thereof, and application thereof SIMCERE PHARMACEUTICAL CO., LTD. (CN) 2022-08-30 US disclosed
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN disclosed
US-20170334899-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-9682995-B2 Amino-substituted isothiazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
EP-2951174-B1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma AG (DE) 2017-04-26 EP disclosed
CN-106414435-A Amino-substituted isothiazoles 拜耳制药股份公司 2017-02-15 CN disclosed
EP-3099682-A1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-12-07 EP disclosed
EP-2980088-A1 Amino-substituted isothiazoles Bayer Pharma Aktiengesellschaft (DE) 2016-02-03 EP disclosed
US-20150368260-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-24 US disclosed
EP-2951174-A1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma Aktiengesellschaft (DE) 2015-12-09 EP disclosed
WO-2015113920-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 WO disclosed
WO-2014118186-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150368260-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BUB1B, BUB1, CCNB1 ALDH1A1 1696/4885LMNA 1257/4885PDE10A 4686/4885
US-11427575-B2 Antitumor compound for activating JWA gene and degrading HER2, preparation method thereof, and application thereof EGFR, ERBB2, ERBB3 ALDH1A1 1994/4885LMNA 3544/4885PDE10A 4572/4885
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 ALDH1A1 945/4885LMNA 3582/4885PDE10A 2965/4885
US-20170334899-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BRCA1, TP53, SULT2A1 ALDH1A1 197/4885LMNA 3219/4885PDE10A 3423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.